1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one

C9H12N2O3 — CID 11264052

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one
SMILESCOc1cc(OC)nc(CC(C)=O)n1
InChIInChI=1S/C9H12N2O3/c1-6(12)4-7-10-8(13-2)5-9(11-7)14-3/h5H,4H2,1-3H3
InChIKeyMRPUESHNMJXBDD-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.63
Rot. Bonds4

About 1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one

1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one (PubChem CID 11264052) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one
PubChem CID11264052
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one
SMILESCOc1cc(OC)nc(CC(C)=O)n1
InChIInChI=1S/C9H12N2O3/c1-6(12)4-7-10-8(13-2)5-9(11-7)14-3/h5H,4H2,1-3H3
InChIKeyMRPUESHNMJXBDD-UHFFFAOYSA-N
XLogP0.63
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one (CID 11264052) is 1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one is COc1cc(OC)nc(CC(C)=O)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one?
The InChIKey is MRPUESHNMJXBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6(12)4-7-10-8(13-2)5-9(11-7)14-3/h5H,4H2,1-3H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one?
1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one has a molecular weight of 196.21 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one is sourced from PubChem (CID 11264052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).